200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 88222-61-1
88222-61-1 | 2H-Pyran-3(6H)-one, 6-(3,3-dimethyl-2-oxobutyl)-
CAS No: 88222-61-1 Catalog No: AG004BA2 MDL No:
Product Description
Catalog Number:
AG004BA2
Chemical Name:
2H-Pyran-3(6H)-one, 6-(3,3-dimethyl-2-oxobutyl)-
CAS Number:
88222-61-1
Molecular Formula:
C11H16O3
Molecular Weight:
196.2429
IUPAC Name:
2-(3,3-dimethyl-2-oxobutyl)-2H-pyran-5-one
InChI:
InChI=1S/C11H16O3/c1-11(2,3)10(13)6-9-5-4-8(12)7-14-9/h4-5,9H,6-7H2,1-3H3
InChI Key:
OJUBJVJAGCBXDG-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)CC1OCC(=O)C=C1
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.246g/mol
Monoisotopic Mass:
196.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.